UCSF

ZINC00388060

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.36 6.83 -6.24 0 2 0 26 164.204 4

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 2.354 Bitter DB
Mp [°C] 29 Acros Organics
Melting_Point 29? Alfa-Aesar
Melting_Point 29° Alfa-Aesar
BP [°C] 211 - 212 Acros Organics
Boiling_Point 223-225? Alfa-Aesar
Boiling_Point 223-225° Alfa-Aesar
BP [°C] 226 Acros Organics
Purity 95% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.